2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide

C17H20ClN3O3 — CID 129354441

IUPAC2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cnn(C[C@H]2CCCCO2)c1
InChIInChI=1S/C17H20ClN3O3/c18-13-4-6-15(7-5-13)24-12-17(22)20-14-9-19-21(10-14)11-16-3-1-2-8-23-16/h4-7,9-10,16H,1-3,8,11-12H2,(H,20,22)/t16-/m1/s1
InChIKeyQNEWWXAPSJDNQK-MRXNPFEDSA-N
MW349.82 g/mol
LogP3.12
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide

2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide (PubChem CID 129354441) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
PubChem CID129354441
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cnn(C[C@H]2CCCCO2)c1
InChIInChI=1S/C17H20ClN3O3/c18-13-4-6-15(7-5-13)24-12-17(22)20-14-9-19-21(10-14)11-16-3-1-2-8-23-16/h4-7,9-10,16H,1-3,8,11-12H2,(H,20,22)/t16-/m1/s1
InChIKeyQNEWWXAPSJDNQK-MRXNPFEDSA-N
XLogP3.12
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide
CID 121145130
2-(2-fluorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354491
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 121145209
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 56817971
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659
2-(4-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295205
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide (CID 129354441) is 2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide is O=C(COc1ccc(Cl)cc1)Nc1cnn(C[C@H]2CCCCO2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
The InChIKey is QNEWWXAPSJDNQK-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c18-13-4-6-15(7-5-13)24-12-17(22)20-14-9-19-21(10-14)11-16-3-1-2-8-23-16/h4-7,9-10,16H,1-3,8,11-12H2,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide?
2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide has a molecular weight of 349.82 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 129354441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).